6-bromo-2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-[1,3]thiazolo[4,5-b]pyridine

C12H9BrFN3S — CID 171486879

IUPAC6-bromo-2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1ccc(C)n1-c1nc2nc(F)c(Br)cc2s1
InChIInChI=1S/C12H9BrFN3S/c1-6-3-4-7(2)17(6)12-16-11-9(18-12)5-8(13)10(14)15-11/h3-5H,1-2H3
InChIKeyLGMLOKGOPNQQLH-UHFFFAOYSA-N
MW326.19 g/mol
LogP4.00
Rot. Bonds1

About 6-bromo-2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-[1,3]thiazolo[4,5-b]pyridine

6-bromo-2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 171486879) has the molecular formula C12H9BrFN3S and a molecular weight of 326.19 g/mol. Its IUPAC name is 6-bromo-2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-[1,3]thiazolo[4,5-b]pyridine
PubChem CID171486879
Molecular FormulaC12H9BrFN3S
Molecular Weight326.19 g/mol
Exact Mass324.97
IUPAC Name6-bromo-2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1ccc(C)n1-c1nc2nc(F)c(Br)cc2s1
InChIInChI=1S/C12H9BrFN3S/c1-6-3-4-7(2)17(6)12-16-11-9(18-12)5-8(13)10(14)15-11/h3-5H,1-2H3
InChIKeyLGMLOKGOPNQQLH-UHFFFAOYSA-N
XLogP4.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-[1,3]thiazolo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-[1,3]thiazolo[4,5-b]pyridine (CID 171486879) is 6-bromo-2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-[1,3]thiazolo[4,5-b]pyridine is Cc1ccc(C)n1-c1nc2nc(F)c(Br)cc2s1.
What is the InChIKey of 6-bromo-2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is LGMLOKGOPNQQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3S/c1-6-3-4-7(2)17(6)12-16-11-9(18-12)5-8(13)10(14)15-11/h3-5H,1-2H3.
What are the key properties of 6-bromo-2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-[1,3]thiazolo[4,5-b]pyridine?
6-bromo-2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 326.19 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 171486879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).